(4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone

C19H19F4N2O+ — CID 4753830

IUPAC(4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H18F4N2O/c20-16-7-5-14(6-8-16)18(26)25-11-9-24(10-12-25)13-15-3-1-2-4-17(15)19(21,22)23/h1-8H,9-13H2/p+1
InChIKeyOQUABQDFSZPONS-UHFFFAOYSA-O
MW367.37 g/mol
LogP2.39
Rot. Bonds3

About (4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone

(4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone (PubChem CID 4753830) has the molecular formula C19H19F4N2O+ and a molecular weight of 367.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone
PubChem CID4753830
Molecular FormulaC19H19F4N2O+
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name(4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H18F4N2O/c20-16-7-5-14(6-8-16)18(26)25-11-9-24(10-12-25)13-15-3-1-2-4-17(15)19(21,22)23/h1-8H,9-13H2/p+1
InChIKeyOQUABQDFSZPONS-UHFFFAOYSA-O
XLogP2.39
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4742848
(2,3-dimethoxyphenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone
CID 4752439
(4-fluorophenyl)-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 108544244
(3-fluoro-4-methylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 9092139
(4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone
CID 4743163
(3,4-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 9397338
(4-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 3684044
[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-fluorophenyl)methanone
CID 4753848
[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
CID 3685040
[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone
CID 4742864
[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone
CID 4742783
(2-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4744214

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone (CID 4753830) is (4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone is O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone?
The InChIKey is OQUABQDFSZPONS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18F4N2O/c20-16-7-5-14(6-8-16)18(26)25-11-9-24(10-12-25)13-15-3-1-2-4-17(15)19(21,22)23/h1-8H,9-13H2/p+1.
What are the key properties of (4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone?
(4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone has a molecular weight of 367.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone is sourced from PubChem (CID 4753830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).